2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-4-oxidanyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-4-oxidanyl-butanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-4-hydroxy-butanoic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]-4-hydroxybutanoic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]-4-hydroxybutanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-4-hydroxy-butyric acid Formula: C20H21Br2NO6 MolecularWeight: 531.19184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCO)C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCO)C(=O)O)Br)O

InChI

InChI=1S/C20H21Br2NO6/c1-10(2)13-9-12(3-4-17(13)25)29-18-14(21)7-11(8-15(18)22)19(26)23-16(5-6-24)20(27)28/h3-4,7-10,16,24-25H,5-6H2,1-2H3,(H,23,26)(H,27,28)